-
Name
Imexon
- EINECS 261-838-2
- CAS No. 59643-91-3
- Density 2.26g/cm3
- Solubility
- Melting Point
- Formula C4H5N3O
- Boiling Point 231.6 °C at 760 mmHg
- Molecular Weight 111.103
- Flash Point 93.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 4-Imino-1,3-diazabicyclo[3.4.0]hexane-2-one;BM 06002;Imexon;NSC 313425;
- PSA 55.96000
- LogP -0.26250
Imexon Specification
The Imexon, with cas registry number 59643-91-3, has the systematic name of 4-amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one. And its IUPAC name is the same one. Besides this, it is also called 1,3-diazabicyclo[3.1.0]hexan-2-one, 4-imino-. And this chemical should be stored at the temperature of 2-8°C.
Physical properties about this chemical are: (1)ACD/LogP: -2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.13; (4)ACD/LogD (pH 7.4): -2.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.52; (8)ACD/KOC (pH 7.4): 1.81; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.91 Å2; (13)Index of Refraction: 2.069; (14)Molar Refractivity: 25.65 cm3; (15)Molar Volume: 49 cm3; (16)Polarizability: 10.16×10-24cm3; (17)Surface Tension: 130.3 dyne/cm; (18)Enthalpy of Vaporization: 46.83 kJ/mol; (19)Vapour Pressure: 0.0616 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C(/N)C2N1C2
(2)InChI: InChI=1/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)
(3)InChIKey: BIXBBIPTYBJTRY-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)
(5)Std. InChIKey: BIXBBIPTYBJTRY-UHFFFAOYSA-N
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